(3S)-3-[(3aR,5S,7aS)-5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-(furan-2-yl)propanoate

Systemtic Name: (3S)-3-[(3aR,5S,7aS)-5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-(furan-2-yl)propanoate Openeye Name: (3S)-3-[(3aR,5S,7aS)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-(2-furyl)propanoate CAS Name: (3S)-3-[(3aR,5S,7aS)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-(2-furanyl)propanoate IUPAC Name: (3S)-3-[(3aR,5S,7aS)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-(furan-2-yl)propanoate Traditional Name: (3S)-3-[(3aR,5S,7aS)-1,3-diketo-5-methyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-(2-furyl)propionate Formula: C16H18NO5- MolecularWeight: 304.31782

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C1)C(=O)N(C2=O)C(CC(=O)[O-])C3=CC=CO3

Isomeric SMILES

C[C@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)[C@@H](CC(=O)[O-])C3=CC=CO3

InChI

InChI=1S/C16H19NO5/c1-9-4-5-10-11(7-9)16(21)17(15(10)20)12(8-14(18)19)13-3-2-6-22-13/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,18,19)/p-1/t9-,10-,11+,12-/m0/s1